tert-butyl-dimethyl-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)hexa-3,4-dienoxy]silane

C18H35BO3Si — CID 154712813

IUPACtert-butyl-dimethyl-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)hexa-3,4-dienoxy]silane
SMILESCC=C=C(CCO[Si](C)(C)C(C)(C)C)B1OC(C)(C)C(C)(C)O1
InChIInChI=1S/C18H35BO3Si/c1-11-12-15(13-14-20-23(9,10)16(2,3)4)19-21-17(5,6)18(7,8)22-19/h11H,13-14H2,1-10H3
InChIKeyBKLHOCFOQRPULA-UHFFFAOYSA-N
MW338.37 g/mol
LogP5.13
Rot. Bonds5

About tert-butyl-dimethyl-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)hexa-3,4-dienoxy]silane

tert-butyl-dimethyl-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)hexa-3,4-dienoxy]silane (PubChem CID 154712813) has the molecular formula C18H35BO3Si and a molecular weight of 338.37 g/mol. Its IUPAC name is tert-butyl-dimethyl-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)hexa-3,4-dienoxy]silane.

Molecular Properties

Compound Nametert-butyl-dimethyl-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)hexa-3,4-dienoxy]silane
PubChem CID154712813
Molecular FormulaC18H35BO3Si
Molecular Weight338.37 g/mol
Exact Mass338.24
IUPAC Nametert-butyl-dimethyl-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)hexa-3,4-dienoxy]silane
SMILESCC=C=C(CCO[Si](C)(C)C(C)(C)C)B1OC(C)(C)C(C)(C)O1
InChIInChI=1S/C18H35BO3Si/c1-11-12-15(13-14-20-23(9,10)16(2,3)4)19-21-17(5,6)18(7,8)22-19/h11H,13-14H2,1-10H3
InChIKeyBKLHOCFOQRPULA-UHFFFAOYSA-N
XLogP5.13
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500338.37
LogP ≤ 55.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of tert-butyl-dimethyl-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)hexa-3,4-dienoxy]silane?
The IUPAC name of tert-butyl-dimethyl-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)hexa-3,4-dienoxy]silane (CID 154712813) is tert-butyl-dimethyl-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)hexa-3,4-dienoxy]silane.
What is the SMILES notation for tert-butyl-dimethyl-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)hexa-3,4-dienoxy]silane?
The canonical SMILES for tert-butyl-dimethyl-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)hexa-3,4-dienoxy]silane is CC=C=C(CCO[Si](C)(C)C(C)(C)C)B1OC(C)(C)C(C)(C)O1.
What is the InChIKey of tert-butyl-dimethyl-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)hexa-3,4-dienoxy]silane?
The InChIKey is BKLHOCFOQRPULA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H35BO3Si/c1-11-12-15(13-14-20-23(9,10)16(2,3)4)19-21-17(5,6)18(7,8)22-19/h11H,13-14H2,1-10H3.
What are the key properties of tert-butyl-dimethyl-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)hexa-3,4-dienoxy]silane?
tert-butyl-dimethyl-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)hexa-3,4-dienoxy]silane has a molecular weight of 338.37 g/mol, XLogP of 5.13, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-dimethyl-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)hexa-3,4-dienoxy]silane is sourced from PubChem (CID 154712813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).